(E)-3-[3-[8-(cyclopropylmethylamino)imidazo[1,2-a]pyrazin-5-yl]phenyl]prop-2-enoic acid

C19H18N4O2 — CID 126475364

IUPAC(E)-3-[3-[8-(cyclopropylmethylamino)imidazo[1,2-a]pyrazin-5-yl]phenyl]prop-2-enoic acid
SMILESO=C(O)/C=C/c1cccc(-c2cnc(NCC3CC3)c3nccn23)c1
InChIInChI=1S/C19H18N4O2/c24-17(25)7-6-13-2-1-3-15(10-13)16-12-22-18(21-11-14-4-5-14)19-20-8-9-23(16)19/h1-3,6-10,12,14H,4-5,11H2,(H,21,22)(H,24,25)/b7-6+
InChIKeyKHOFEEQBVLLYFK-VOTSOKGWSA-N
MW334.38 g/mol
LogP3.32
Rot. Bonds6

About (E)-3-[3-[8-(cyclopropylmethylamino)imidazo[1,2-a]pyrazin-5-yl]phenyl]prop-2-enoic acid

(E)-3-[3-[8-(cyclopropylmethylamino)imidazo[1,2-a]pyrazin-5-yl]phenyl]prop-2-enoic acid (PubChem CID 126475364) has the molecular formula C19H18N4O2 and a molecular weight of 334.38 g/mol. Its IUPAC name is (E)-3-[3-[8-(cyclopropylmethylamino)imidazo[1,2-a]pyrazin-5-yl]phenyl]prop-2-enoic acid.

Molecular Properties

Compound Name(E)-3-[3-[8-(cyclopropylmethylamino)imidazo[1,2-a]pyrazin-5-yl]phenyl]prop-2-enoic acid
PubChem CID126475364
Molecular FormulaC19H18N4O2
Molecular Weight334.38 g/mol
Exact Mass334.14
IUPAC Name(E)-3-[3-[8-(cyclopropylmethylamino)imidazo[1,2-a]pyrazin-5-yl]phenyl]prop-2-enoic acid
SMILESO=C(O)/C=C/c1cccc(-c2cnc(NCC3CC3)c3nccn23)c1
InChIInChI=1S/C19H18N4O2/c24-17(25)7-6-13-2-1-3-15(10-13)16-12-22-18(21-11-14-4-5-14)19-20-8-9-23(16)19/h1-3,6-10,12,14H,4-5,11H2,(H,21,22)(H,24,25)/b7-6+
InChIKeyKHOFEEQBVLLYFK-VOTSOKGWSA-N
XLogP3.32
TPSA79.52 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.38
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

N-(cyclopropylmethyl)-3-pyridin-3-ylimidazo[1,2-a]pyrazin-8-amine
CID 126472770
(E)-3-[3-[6-(piperidin-4-ylmethylamino)-2-pyridinyl]phenyl]prop-2-enoic acid
CID 24812324
3-[3-[6-(piperidin-4-ylmethylamino)pyrazin-2-yl]phenyl]prop-2-enoic acid
CID 67318486
5-[8-(cyclobutylmethylamino)imidazo[1,2-a]pyrazin-5-yl]-2,3-dihydroisoindol-1-one;ethane
CID 91544688
N-(cyclopropylmethyl)-3-[2-(dimethylamino)phenyl]imidazo[1,2-a]pyrazin-8-amine
CID 126473209
3-[3-[6-(2-methoxyethylamino)imidazo[1,2-b]pyridazin-3-yl]phenyl]prop-2-enoic acid
CID 66889633
3-[8-[(3,4-dichlorophenyl)methylamino]imidazo[1,2-a]pyrazin-5-yl]phenol
CID 126472154
1-[3-[8-(pyridin-3-ylmethylamino)imidazo[1,2-a]pyrazin-3-yl]phenyl]ethanone
CID 126473351
4-[8-(benzylamino)imidazo[1,2-a]pyrazin-3-yl]-N-cyclopropyl-2-hydroxybenzamide
CID 67973616
2-cyclopropyl-4-[8-(2-pyridin-2-ylethylamino)imidazo[1,2-a]pyrazin-3-yl]benzamide
CID 67975735
N-[3-[1-(2-aminoethyl)piperidin-4-yl]phenyl]-5-(3-methylphenyl)imidazo[1,2-a]pyrazin-8-amine
CID 177249594
N-(pyridin-4-ylmethyl)-5-[3-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyrazin-8-amine
CID 126475682

Frequently Asked Questions

What is the IUPAC name of (E)-3-[3-[8-(cyclopropylmethylamino)imidazo[1,2-a]pyrazin-5-yl]phenyl]prop-2-enoic acid?
The IUPAC name of (E)-3-[3-[8-(cyclopropylmethylamino)imidazo[1,2-a]pyrazin-5-yl]phenyl]prop-2-enoic acid (CID 126475364) is (E)-3-[3-[8-(cyclopropylmethylamino)imidazo[1,2-a]pyrazin-5-yl]phenyl]prop-2-enoic acid.
What is the SMILES notation for (E)-3-[3-[8-(cyclopropylmethylamino)imidazo[1,2-a]pyrazin-5-yl]phenyl]prop-2-enoic acid?
The canonical SMILES for (E)-3-[3-[8-(cyclopropylmethylamino)imidazo[1,2-a]pyrazin-5-yl]phenyl]prop-2-enoic acid is O=C(O)/C=C/c1cccc(-c2cnc(NCC3CC3)c3nccn23)c1.
What is the InChIKey of (E)-3-[3-[8-(cyclopropylmethylamino)imidazo[1,2-a]pyrazin-5-yl]phenyl]prop-2-enoic acid?
The InChIKey is KHOFEEQBVLLYFK-VOTSOKGWSA-N. The full InChI is InChI=1S/C19H18N4O2/c24-17(25)7-6-13-2-1-3-15(10-13)16-12-22-18(21-11-14-4-5-14)19-20-8-9-23(16)19/h1-3,6-10,12,14H,4-5,11H2,(H,21,22)(H,24,25)/b7-6+.
What are the key properties of (E)-3-[3-[8-(cyclopropylmethylamino)imidazo[1,2-a]pyrazin-5-yl]phenyl]prop-2-enoic acid?
(E)-3-[3-[8-(cyclopropylmethylamino)imidazo[1,2-a]pyrazin-5-yl]phenyl]prop-2-enoic acid has a molecular weight of 334.38 g/mol, XLogP of 3.32, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-[3-[8-(cyclopropylmethylamino)imidazo[1,2-a]pyrazin-5-yl]phenyl]prop-2-enoic acid is sourced from PubChem (CID 126475364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).